1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | P930-5476 |
| Compound Name: | 1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C21 H21 F N4 O2 |
| Smiles: | COc1cccc(CC(N2CCC[C@H]2c2nnc(c3ccc(cc3)F)[nH]2)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.9572 |
| logD: | 2.9217 |
| logSw: | -3.3047 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.476 |
| InChI Key: | CKRGSRLOPYLZJX-SFHVURJKSA-N |